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2-Hydroxy-3-methoxybenzaldehyde, butyl ether

View entire compound with spectra: 1 NMR, and 1 FTIR

2-Hydroxy-3-methoxybenzaldehyde, butyl ether
SpectraBase Compound ID HE4Dp6tyjp8
InChI InChI=1S/C12H16O3/c1-3-4-8-15-12-10(9-13)6-5-7-11(12)14-2/h5-7,9H,3-4,8H2,1-2H3
InChIKey KFSWONZYRSVJJQ-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EhM9M6Vh0sT
Name 2-Hydroxy-3-methoxybenzaldehyde, butyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.109944372 u
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-3-4-8-15-12-10(9-13)6-5-7-11(12)14-2/h5-7,9H,3-4,8H2,1-2H3
InChIKey KFSWONZYRSVJJQ-UHFFFAOYSA-N
Molecular Weight 208.257 g/mol
SMILES C1=C(C(=C(C=C1)OC)OCCCC)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960953